Cas no 6965-09-9 (N-[(6-Imino-2-methoxy-1,6-dihydropyrimidin-5-yl)methyl]ethanimidic acid)
![N-[(6-Imino-2-methoxy-1,6-dihydropyrimidin-5-yl)methyl]ethanimidic acid structure](https://ossimg.kuujia.com/scimg/7000/6965-09-9x500.png)
6965-09-9 structure
Product Name:N-[(6-Imino-2-methoxy-1,6-dihydropyrimidin-5-yl)methyl]ethanimidic acid
CAS No:6965-09-9
MF:C8H12N4O2
MW:196.206480979919
CID:3035254
PubChem ID:249106
Update Time:2025-04-21
N-[(6-Imino-2-methoxy-1,6-dihydropyrimidin-5-yl)methyl]ethanimidic acid Chemical and Physical Properties
Names and Identifiers
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- N-[(4-amino-2-methoxypyrimidin-5-yl)methyl]acetamide
- N-(chrysen-5-yl)acetamide; Acetamide, N-5-chrysenyl-; 5-Acetamidochrysen; NSC166742; N-(4-amino-2-methoxy-pyrimidin-5-ylmethyl)-acetamide; 5-Acetamino-chrysen; 5-Acetaminomethyl-4-amin-2-methoxy-pyrimidin; AC1L6Q9I; N-chrysen-5-yl-acetamide;
- NSC-67076
- NSC67076
- N-[(4-amino-2-methoxy-pyrimidin-5-yl)methyl]acetamide
- N-[(6-Imino-2-methoxy-1,6-dihydropyrimidin-5-yl)methyl]ethanimidic acid
- DTXSID00989760
- DS-011823
- 6965-09-9
-
- Inchi： 1S/C8H12N4O2/c1-5(13)10-3-6-4-11-8(14-2)12-7(6)9/h4H,3H2,1-2H3,(H,10,13)(H2,9,11,12)
- InChI Key： OZYGOHKHVTYTHT-UHFFFAOYSA-N
- SMILES： O(C)C1=NC=C(C(N)=N1)CNC(C)=O
Computed Properties
- Exact Mass: 196.09616
- Monoisotopic Mass: 196.096
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 200
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.2
- Topological Polar Surface Area: 90.1?2
Experimental Properties
- Density: 1.246
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.563
- PSA: 90.13
- LogP: 0.67560
N-[(6-Imino-2-methoxy-1,6-dihydropyrimidin-5-yl)methyl]ethanimidic acid Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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